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Chlorine in PDB 3vfc: Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate

Protein crystallography data

The structure of Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate, PDB code: 3vfc was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.00
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 95.264, 95.264, 260.649, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 19.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate (pdb code 3vfc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate, PDB code: 3vfc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3vfc

Go back to Chlorine Binding Sites List in 3vfc
Chlorine binding site 1 out of 2 in the Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:37.1
occ:0.70
CL A:CL503 0.0 37.1 0.7
CL A:CL503 1.9 26.9 0.3
N A:SER74 3.1 26.2 1.0
NH1 A:ARG5 3.3 24.8 1.0
NH2 A:ARG5 3.4 38.8 1.0
CB A:SER74 3.7 20.9 1.0
CA A:ARG73 3.8 29.5 1.0
CZ A:ARG5 3.8 32.5 1.0
OG A:SER77 3.9 28.3 1.0
C A:ARG73 4.0 22.9 1.0
CD A:ARG73 4.0 25.9 1.0
CA A:SER74 4.1 27.2 1.0
CB A:ARG73 4.3 29.3 1.0
CB A:SER77 4.3 23.3 1.0
O A:GLY72 4.3 34.0 1.0
O A:HOH671 4.5 48.2 1.0
NH1 A:ARG73 4.6 27.1 1.0
CG A:ARG73 4.8 31.1 1.0
O A:HOH640 4.9 36.2 1.0
N A:ARG73 4.9 29.4 1.0

Chlorine binding site 2 out of 2 in 3vfc

Go back to Chlorine Binding Sites List in 3vfc
Chlorine binding site 2 out of 2 in the Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Enolase MSMEG_6132 (Target Efi-502282) From Mycobacterium Smegmatis Str. MC2 155 Complexed with Tartrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:26.9
occ:0.30
CL A:CL503 0.0 26.9 0.3
CL A:CL503 1.9 37.1 0.7
NH1 A:ARG73 3.2 27.1 1.0
CD A:ARG73 3.4 25.9 1.0
CG1 A:VAL80 4.1 27.8 1.0
CZ A:ARG73 4.2 32.5 1.0
OG A:SER77 4.2 28.3 1.0
NE A:ARG73 4.2 31.1 1.0
CB A:SER77 4.4 23.3 1.0
O A:HOH640 4.4 36.2 1.0
CG A:ARG73 4.6 31.1 1.0
CB A:ARG73 4.6 29.3 1.0
CB A:VAL80 4.6 24.8 1.0
CA A:ARG73 4.7 29.5 1.0
N A:SER74 4.7 26.2 1.0
CG2 A:VAL80 4.8 22.5 1.0
O A:HOH887 4.8 54.8 1.0
NH2 A:ARG5 5.0 38.8 1.0

Reference:

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase MSMEG_6132 From Mycobacterium Smegmatis To Be Published.
Page generated: Sat Dec 12 10:17:24 2020

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